2-methyl-5-(phenylmethyl)-3-thiophen-2-yl-pyridazino[1,6-a]benzimidazol-10-ium bromide

Systemtic Name: 2-methyl-5-(phenylmethyl)-3-thiophen-2-yl-pyridazino[1,6-a]benzimidazol-10-ium bromide Openeye Name: 5-benzyl-2-methyl-3-(2-thienyl)pyridazino[1,6-a]benzimidazol-10-ium bromide CAS Name: 2-methyl-5-(phenylmethyl)-3-thiophen-2-ylpyridazino[1,6-a]benzimidazol-10-ium bromide IUPAC Name: 5-benzyl-2-methyl-3-thiophen-2-ylpyridazino[1,6-a]benzimidazol-10-ium bromide Traditional Name: 5-benzyl-2-methyl-3-(2-thienyl)pyridazino[1,6-a]benzimidazol-10-ium bromide Formula: C22H18BrN3S MolecularWeight: 436.36742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C=C1C3=CC=CS3)N(C4=CC=CC=C42)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=N[N+]2=C(C=C1C3=CC=CS3)N(C4=CC=CC=C42)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C22H18N3S.BrH/c1-16-18(21-12-7-13-26-21)14-22-24(15-17-8-3-2-4-9-17)19-10-5-6-11-20(19)25(22)23-16;/h2-14H,15H2,1H3;1H/q+1;/p-1